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A dinuclear copper complex: bis-(μ-4-amino-benzoato)bis-[aqua(1,10-phenanthroline)copper(II)] dichloride bis(4-amino-benzoic acid) dihydrate.

ABSTRACT: The title complex, [Cu(2)(C(7)H(6)NO(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)]·2C(7)H(7)NO(2)·2H(2)O, consists of a dinuclear [Cu(2)(C(7)H(6)NO(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) cation, two Cl(-) anions, two 4-amino-benzoic acid mol-ecules and two disordered water mol-ecules (site occupancy factors 0.5). The Cu(II) ion adopts a distorted square-pyramidal geometry formed by two N atoms from the 1,10-phenanthroline ligand and two O atoms of the two 4-amino-benzoic acid ligands and one water O atom. The Cu⋯Cu separation is 3.109 (2) Å. A twofold axis passes through the mid-point of the Cu⋯Cu vector.

SUBMITTER: Huang ML

PROVIDER: S-EPMC2961994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(Benzoato-?O)bis-(1,10-phenanthroline-?N,N')copper(II) chloride benzoic acid disolvate.

Project description:In the title complex, [Cu(C(7)H(5)O(2))(C(12)H(8)N(2))(2)]Cl·2C(6)H(5)CO-OH, the Cu(II) ion is coordinated by one carboxyl-ate O atom from a benzoate anion and four N atoms from two phenantroline ligands in a distorted five-coordinate trigonal-bipyramidal CuON(4) chromophore. The Cu(2+) and the Cl(-) ion are imposed by a twofold rotation axiss which also bisects the equally disordered benzoate anion. In the crystal, the mol-ecules are assembled into chains along [010] by C-H?Cl, O-H?Cl and C-H?O hydrogen-bonding inter-actions. The resulting chains are further connected into two-dimensional supra-molecular layers parallel to [100] by inter-chain ??? stacking inter-actions [centroid-centroid distance = 3.823?(5)?Å] between the phenanthroline ligands and the benzoic acid mol-ecules, and by C-H?O hydrogen-bonding inter-actions. Strong ??? stacking inter-actions between adjacent phenantroline ligands [3.548?(4)?Å] assemble the layers into a three-dimensional supra-molecular architecture.

| S-EPMC2979027 | biostudies-literature

Bis(?(2)-2-chloro-benzoato-?O:O')bis-[(2-chloro-benzoato-?O)(1,10-phenanthroline-?N:N')copper(II)] dihydrate.

Project description:In the title compound, [Cu(2)(C(7)H(4)ClO(2))(4)(C(12)H(8)N(2))(2)]·2H(2)O, the two crystallographically independent dinuclear complex mol-ecules, A and B, have different Cu?Cu separations, viz. 3.286?(1)?Å in A and 3.451?(1)?Å in B. Both independent mol-ecules reside on inversion centres, so the asymmetric unit contains a half-mol-ecule each of A and B and two water mol-ecules. Each Cu atom has a square-pyramidal environment, being coordinated by two O atoms from two bridging 2-chloro-benzoate ligands, one O atom from a monodentate 2-chloro-benzoate ligand and two N atoms from a 1,10-phenanthroline ligand. The water mol-ecules can also be considered as coordinating ligands, which complete the coordination geometry up to distorted octa-hedral with elongated Cu-O distances, viz. 3.024?(3)?Å in A and 2.917?(3)?Å in B. In the crystal, weak inter-molecular C-H?O inter-actions contribute to the consolidation of the crystal packing.

| S-EPMC3212258 | biostudies-literature

Bis(2-fluoro-benzoato-?O,O')bis-(1,10-phenanthroline-?N,N')lead(II) dihydrate.

Project description:In the title compound, [Pb(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(2)]·2H(2)O, the Pb(II) atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and four O atoms from two 2-fluoro-benzoate ligands in an irregular polyhedral coordination geometry. Two carboxyl-ate O atoms and one F atom are each disordered over two sites with occupancy factors of 0.60 and 0.40. The dihedral angle between the two phen ligands is 89.9?(1)°. The mean inter-planar distances are alternatively of 3.44?(3) and 3.45?(3)?Å, indicating ?-? stacking inter-actions between the neighboring phen ligands. In the crystal, O-H?O, O-H?F and C-H?O hydrogen bonds link the complex mol-ecules and uncoordinated water mol-ecules into a supra-molecular network.

| S-EPMC2970442 | biostudies-literature

Bis(μ-4-chloro-2-oxidobenzoato)bis-[(1,10-phenanthroline)copper(II)] dihydrate.

Project description:The structure of the the title compound, [Cu(2)(C(7)H(3)ClO(3))(2)(C(12)H(8)N(2))(2)]·2H(2)O, consists of a dimeric unit involving a planar Cu(2)O(2) group arranged around an inversion center. The coordination sphere of the Cu(II) atom can be described as an elongated distorted square pyramid where the basal plane is formed by the two N atoms of the 1,10-phenanthroline mol-ecule and the two O atoms of the hydroxy-chloro-benzoate (hcbe) anion. The long apical Cu-O distance of 2.569 (2) Å involves the O atom of a symmetry-related hcbe anion, building up the dinuclear unit. Each dinuclear unit is connected through O-H⋯O hydrogen bonds involving two water mol-ecules, resulting in an R(4) (2)(8) graph-set motif and building up an infinite chain parallel to (10). C-H⋯O inter-actions further stabilize the chain.

| S-EPMC2983983 | biostudies-literature

Hemiaqua-bis(2-fluoro-benzoato-?O,O')bis-(1,10-phenanthroline-?N,N')lead(II) dihydrate.

Project description:In the title compound, [Pb(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(0.5)]·2H(2)O, the Pb(II) atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands, four O atoms from two 2-fluoro-benzoate ligands and a half-occupied water mol-ecule in an irregular coordination geometry. One carboxyl-ate O atom and two F atoms are each disordered over two sites with occupancy factors of 0.558?(6) and 0.442?(6). The two crystallographically independent phen ligands are co-planar [dihedral angle 0.0?(2)°]. Centroid-centroid distances of 3.659?(7) and 3.687?(7)?Å indicate ?-? stacking inter-actions between neighboring phen ligands. In the crystal, O-H?O, C-H?F and C-H?O hydrogen bonds link the complex mol-ecules and uncoordinated water mol-ecules into a supra-molecular network.

| S-EPMC2977250 | biostudies-literature

Bis(benzoato-?O,O')(1,10-phenanthroline-?N,N')lead(II) benzoic acid mono-solvate.

Project description:The reaction of lead acetate, benzoic acid and 1,10-phenanthroline (phen) in aqueous solution yielded the title complex, [Pb(C(7)H(5)O(2))(2)(C(12)H(8)N(2))]·C(7)H(6)O(2). In the crystal, the Pb(II) ion is hexa-coordinated by two N atoms from one 1,10-phenanthroline ligand and four O atoms from two chelate benzoate anions. If the second benzoate ligand is treated as one coordination site, the overall coordination may be represented as a distorted pseudo-square pyramid. An inter-molecular O-H?O hydrogen bond links the solvent benzoic acid mol-ecule with a metal-coordinated benzoate ligand. The shortest Pb?Pb distance is 3.864?(4)?Å, indicating a weak metal-metal inter-action. Two complex mol-ecules related by an inversion centre form dimeric units via Pb?O inter-actions of 3.206?(4)?Å.

| S-EPMC3011696 | biostudies-literature

Bis(3,4-dimethoxy-benzoato-?O,O')(1,10-phenanthroline-?N,N')copper(II).

Project description:The asymmetric unit of the title compound, [Cu(C(9)H(9)O(4))(2)(C(12)H(8)N(2))], contains one half-mol-ecule, the complete mol-ecule being generated by a twofold rotation axis. The Cu(II) atom exhibits a six-coordinated distorted octa-hedral geometry with two N atoms from the phenanthroline ligand [Cu-N 2.007?(2)?Å] and four O atoms from two 3,4-dimethoxy-benzoate ligands [Cu-O 1.950?(1) and 2.524?(1)?Å]. The difference in Cu-O bond distances indicates a strong Jahn-Teller effect. In the crystal, C-H?? inter-actions result in chains of mol-ecules along the c axis.

| S-EPMC2980123 | biostudies-literature

Aqua-bis-(3-fluoro-benzoato-?O)(1,10-phenanthroline-?N,N')copper(II).

Project description:In the title compound, [Cu(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the coordination around the Cu(II) atom is square-pyramidal. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu-N = 2.008?(3) and 2.019?(3)?Å] and two O atoms from 3-fluoro-benzoate ligands and a water mol-ecule [Cu-O = 1.950?(2) and 1.978?(2)?Å]. One O atom from another 3-fluoro-benzoate ligand occupies the apical positon [Cu-O = 2.210?(2)?Å]. Hydrogen bonds occur between coordinated water mol-ecules and benzoate ligands, while O-H?O, C-H?O, C-H?F and ?-? stacking [centroid-centroid distance = 3.731?(2)?Å] inter-actions consolidate the crystal packing.

| S-EPMC3089262 | biostudies-literature

Bis(2-methyl-benzoato-?O,O')(1,10'-phenanthroline-?N,N')copper(II).

Project description:In the title compound, [Cu(C(8)H(7)O(2))(2)(C(12)H(8)N(2))], the Cu(II) atom assumes a distorted octa-hedral coordination geometry, chelated by two N atoms from the 1,10'-phenanthroline ligand and four O atoms from two 2-methyl-benzoate anions. A significant Jahn-Teller distortion is observed with two axial Cu-O distances significantly longer than those in the equatorial CuO(2)N(2) plane. In the crystal, ?-? stacking inter-actions, with centroid-centroid distances of 3.547?(3) or 3.728?(3)?Å between the phenanthroline rings, form layers parallel to (011).

| S-EPMC3120328 | biostudies-literature

Di-?-methacrylato-?O:O'-bis-[aqua-bis(1,10-phenanthroline-?N,N')copper(II)] dinitrate dihydrate.

Project description:The title complex, [Cu(2)(C(4)H(5)O(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](NO(3))(2)·2H(2)O, contains a dimeric [Cu(2)(C(4)H(5)O(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) dication with two five-coordinated Cu(II) ions linked by two methacrylate ions in a syn-syn bridging arrangement. The dication possesses pseudo-twofold rotational symmetry. The penta-coordination of each Cu(II) ion has a distorted square-pyramidal geometry, with two N donors from a phenanthroline ligand and two carboxyl-ate O atoms occupying basal sites and the apical position being occupied by a water mol-ecule. In the crystal packing, mol-ecules are linked to form a three-dimensional framework by O-H?O and C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distances of 3.6039?(15), 3.5301?(15), 3.6015?(15), 3.6496?(15) and 3.6858?(15)?Å].

| S-EPMC2961707 | biostudies-literature

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